Synonyms: "2,3-dibromo,7,8-dichloro-dibenzo-dioxin", "2,3-dibromo-7,8-dichlorooxanthrene"

Source: 2,3-dibromo-7,8-dichlorodibenzo-p-dioxin is a mixed bromo/chloro congener of dibenzodioxins, which is produced during the incineration of these chemicals.


IUPAC Name: 2,3-dibromo-7,8-dichlorodibenzo-p-dioxin
CAS Number: 50585-40-5
PubChem ID: 39728
Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Br)Br

Structural Properties:

Molecular Formula: C12H4Br2Cl2O2
Molecular Weight: 410,873

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 18


2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Mason G, Zacharewski T, Denomme MA, Safe L, Safe S. 1987. Polybrominated dibenzo-p-dioxins and related compounds: Quantitative in vivo and in vitro structure-activity relationships. Toxicology 44(3):245-255, DOI: 10.1016/0300-483X(87)90027-8.
Schulz-Schalge T, Koch E, Schwind KH, Hutzinger O, Neubert D. 1991. Inductive potency of TCDD, TBDD and three 2,3,7,8-mixed-halogenated dioxins in liver microsomes of male rats. Enzyme kinetic considerations. Chemosphere 23(11-12):1925-1931.

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